9,10-Dihydro-8-(3-methyl-2-buten-1-yl)-2,3,5,7-phenanthrenetetrol

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  • Identifiers

    CAS number
    134958-57-9

    Molecular formula
    C19H20O4

    SMILES
    CC(=CCC1=C2CCC3=CC(=C(C=C3C2=C(C=C1O)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 57.46%
    Spicy 40.73%
    Odorless 36.75%
    Smoky 31.77%
    Burnt 31.13%
    Woody 28.09%
    Medicinal 24.67%
    Dry 23.57%
    Balsamic 21.71%
    Animal 20.56%

     

    Flavor
    Bitter 86.5%
    Cedarleaf 21.03%
    Odorless 20.36%
    Parsley 20.29%
    Eugenol 20.07%
    Flat 19.92%
    Bland 19.89%
    Lovage 19.87%
    Very strong 19.78%
    Sweet-like 19.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    11.55 (strong base)

    Molecular weight
    312.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    790°C

    Melting point expt.

    • 170 - 173 °C

    Flash point

    • 263.66 ˚C est.

  • Synonyms

    • Gancaonin V
    • 134958-57-9
    • 8-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,3,5,7-tetrol
    • 7LCN2L3U3E
    • DTXSID50159158
    • 8-(3-METHYLBUT-2-EN-1-YL)-9,10-DIHYDROPHENANTHRENE-2,3,5,7-TETROL
    • 9,10-Dihydro-8-(3-methyl-2-buten-1-yl)-2,3,5,7-phenanthrenetetrol
    • RefChem:1074815
    • DTXCID9081649
    • 8-(3-Methyl-but-2-enyl)-9,10-dihydro-phenanthrene-2,3,5,7-tetraol
    • CHEBI:174997
    • 1-Isopentenyl-2,4,6,7-tetrahydroxy-9,10-dihydrophenanthrene
    • 2,3,5,7-Phenanthrenetetrol, 9,10-dihydro-8-(3-methyl-2-butenyl)-
    • 134958-57-9

  • Applications

    9,10-Dihydro-8-(3-methyl-2-buten-1-yl)-2,3,5,7-phenanthrenetetrol (CAS 134958-57-9) is primarily viewed as a synthetic intermediate and building block in organic synthesis, commonly evaluated in early-stage pharmaceutical and agrochemical development; owing to its polyphenolic character and multiple hydroxyl groups, it can serve as a scaffold for polyphenolic materials in polymers and coatings and may act as a precursor for surface-modification chemistries and adhesives; it may also be considered as an antioxidant or stabilizer in cosmetic formulations and other polymer-containing consumer products; in research settings, it may be explored for advanced materials and electronics-related applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.54
    methanol 19.29
    isopropanol 13.31
    water 0.02
    ethyl acetate 13.56
    n-propanol 16.41
    acetone 22.08
    n-butanol 13.22
    acetonitrile 4.26
    DMF 64.06
    toluene 2.0
    isobutanol 7.9
    1,4-dioxane 32.72
    methyl acetate 11.81
    THF 121.27
    2-butanone 22.47
    n-pentanol 9.1
    sec-butanol 7.51
    n-hexane 0.08
    ethylene glycol 5.03
    NMP 20.2
    cyclohexane 0.1
    DMSO 81.91
    n-butyl acetate 12.24
    n-octanol 7.92
    chloroform 2.57
    n-propyl acetate 8.76
    acetic acid 19.03
    dichloromethane 1.47
    cyclohexanone 22.9
    propylene glycol 12.33
    isopropyl acetate 14.13
    DMAc 82.11
    2-ethoxyethanol 38.92
    isopentanol 11.62
    n-heptane 0.2
    ethyl formate 6.46
    1,2-dichloroethane 2.59
    n-hexanol 12.67
    2-methoxyethanol 98.06
    isobutyl acetate 7.67
    tetrachloromethane 0.52
    n-pentyl acetate 14.56
    transcutol 77.18
    n-heptanol 11.82
    ethylbenzene 1.75
    MIBK 14.45
    2-propoxyethanol 63.11
    tert-butanol 23.11
    MTBE 9.95
    2-butoxyethanol 34.86
    propionic acid 9.1
    o-xylene 1.71
    formic acid 9.38
    diethyl ether 6.94
    m-xylene 2.25
    p-xylene 2.06
    chlorobenzene 1.84
    dimethyl carbonate 13.71
    n-octane 0.21
    formamide 22.73
    cyclopentanone 44.45
    2-pentanone 18.68
    anisole 9.33
    cyclopentyl methyl ether 13.06
    gamma-butyrolactone 32.58
    1-methoxy-2-propanol 73.5
    pyridine 16.64
    3-pentanone 9.33
    furfural 24.58
    n-dodecane 0.28
    diethylene glycol 51.24
    diisopropyl ether 2.52
    tert-amyl alcohol 11.89
    acetylacetone 32.86
    n-hexadecane 0.33
    acetophenone 11.07
    methyl propionate 14.41
    isopentyl acetate 14.55
    trichloroethylene 7.43
    n-nonanol 9.09
    cyclohexanol 6.36
    benzyl alcohol 11.16
    2-ethylhexanol 7.02
    isooctanol 9.69
    dipropyl ether 8.39
    1,2-dichlorobenzene 2.26
    ethyl lactate 11.48
    propylene carbonate 12.42
    n-methylformamide 20.4
    2-pentanol 6.39
    n-pentane 0.06
    1-propoxy-2-propanol 36.98
    1-methoxy-2-propyl acetate 31.68
    2-(2-methoxypropoxy) propanol 28.38
    mesitylene 1.61
    ε-caprolactone 18.56
    p-cymene 2.57
    epichlorohydrin 38.23
    1,1,1-trichloroethane 2.4
    2-aminoethanol 14.74
    morpholine-4-carbaldehyde 44.5
    sulfolane 44.31
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 18.71
    n-hexyl acetate 14.92
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 42.35
    sec-butyl acetate 7.61
    tert-butyl acetate 21.04
    decalin 0.21
    glycerin 30.12
    diglyme 63.42
    acrylic acid 8.81
    isopropyl myristate 7.16
    n-butyric acid 16.49
    acetyl acetate 9.64
    di(2-ethylhexyl) phthalate 8.83
    ethyl propionate 9.13
    nitromethane 33.87
    1,2-diethoxyethane 23.63
    benzonitrile 6.82
    trioctyl phosphate 7.51
    1-bromopropane 1.09
    gamma-valerolactone 64.49
    n-decanol 6.71
    triethyl phosphate 7.33
    4-methyl-2-pentanol 6.55
    propionitrile 5.8
    vinylene carbonate 10.59
    1,1,2-trichlorotrifluoroethane 35.61
    DMS 13.74
    cumene 1.65
    2-octanol 7.04
    2-hexanone 11.39
    octyl acetate 9.3
    limonene 2.89
    1,2-dimethoxyethane 54.7
    ethyl orthosilicate 7.54
    tributyl phosphate 6.75
    diacetone alcohol 36.58
    N,N-dimethylaniline 7.15
    acrylonitrile 8.86
    aniline 6.85
    1,3-propanediol 32.65
    bromobenzene 1.36
    dibromomethane 0.83
    1,1,2,2-tetrachloroethane 8.03
    2-methyl-cyclohexyl acetate 10.84
    tetrabutyl urea 11.18
    diisobutyl methanol 5.42
    2-phenylethanol 16.1
    styrene 1.62
    dioctyl adipate 10.89
    dimethyl sulfate 21.25
    ethyl butyrate 9.13
    methyl lactate 20.96
    butyl lactate 15.16
    diethyl carbonate 6.75
    propanediol butyl ether 25.0
    triethyl orthoformate 10.36
    p-tert-butyltoluene 2.89
    methyl 4-tert-butylbenzoate 18.93
    morpholine 48.55
    tert-butylamine 5.86
    n-dodecanol 4.74
    dimethoxymethane 71.62
    ethylene carbonate 9.14
    cyrene 24.88
    2-ethoxyethyl acetate 25.0
    2-ethylhexyl acetate 9.82
    1,2,4-trichlorobenzene 3.72
    4-methylpyridine 10.55
    dibutyl ether 6.64
    2,6-dimethyl-4-heptanol 5.42
    DEF 17.84
    dimethyl isosorbide 44.13
    tetrachloroethylene 4.62
    eugenol 22.32
    triacetin 16.73
    span 80 20.35
    1,4-butanediol 7.4
    1,1-dichloroethane 1.46
    2-methyl-1-pentanol 8.01
    methyl formate 13.3
    2-methyl-1-butanol 8.07
    n-decane 0.47
    butyronitrile 6.1
    3,7-dimethyl-1-octanol 7.45
    1-chlorooctane 2.5
    1-chlorotetradecane 1.14
    n-nonane 0.32
    undecane 0.35
    tert-butylcyclohexane 0.25
    cyclooctane 0.07
    cyclopentanol 7.41
    tetrahydropyran 16.71
    tert-amyl methyl ether 7.4
    2,5,8-trioxanonane 46.73
    1-hexene 0.62
    2-isopropoxyethanol 24.28
    2,2,2-trifluoroethanol 5.24
    methyl butyrate 10.51

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction